mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-556182
7.517581
11.266005
1.455026
other
Ba7Ca2Mn3Cr2O20
34
166
523.03
mp-649933
8.665872
3.622628
-7.121731
other
Ba2Ce2C4O12F2
22
166
359.54
mp-1228490
9.624777
10.442595
3.362825
other
Ba2La2Mg1Ti3O12
20
166
255.48
mp-41236
9.744484
11.276453
0.925552
other
Ba2La2Zn1W2O12
19
166
255.45
mp-1227091
11.800963
8.186328
1.2103
other
Ca4U1Al2Si3O15
25
166
245.47
mp-1194752
11.20229
4.442812
-5.420346
other
Ca1Al6H12S4O28
51
166
487.9
mp-510606
10.004514
4.796154
-5.419538
other
Na1Fe3H6S2O14
26
166
271.72
mp-560825
10.432788
11.081341
0.783585
other
Ba4La4Mn2W4O24
38
166
539.01
mp-1218525
7.789664
11.565456
2.355705
other
Sr3La1Ti2Mn2O12
20
166
241.89
mp-1228108
9.945786
11.299021
0.665073
other
Ba4Fe2Mo1W1O12
20
166
279.06
mp-1216483
10.027766
3.735901
-4.187254
other
Zn1Cu15H24Cl8O24
72
166
776.21
mp-15079
8.494702
0.653484
1.329459
other
Cs4K1Li1Ga2F12
20
166
373.37
mp-560912
7.791893
11.497025
1.527441
other
Ba7Ca2Mn3V2O20
34
166
526.12
mp-560874
8.539721
3.705799
-6.750694
other
Ba1Pb2C2O6F2
13
166
191.28
mp-644318
11.426326
5.562143
-5.535994
other
Na2V6H12S4O28
52
166
542.85
mp-2230422
9.545492
10.77192
1.311316
other
Ba4Mg1Co1Re2O12
20
166
287.47
mp-604429
9.880068
4.996511
-5.460383
other
Na1Fe3H6S2O14
26
166
265.51
mp-1105618
13.481171
4.671011
-2.238632
other
K2Be4B2O6F4
18
167
205.62
mp-740739
11.547146
5.397192
-5.28163
other
K12Te4P12H24O66
118
167
1,767.97
mp-695069
11.466729
11.013635
-3.766115
other
K10Hf2In2Mo12O48
74
167
1,281.77
mp-1224538
11.521673
11.075905
-3.802266
other
K10Lu2Hf2Mo12O48
74
167
1,309.12
mp-2716298
14.013492
4.794377
-4.311728
other
K18Na6Zr12Si18O72
126
167
1,774.22
mp-744814
12.068131
6.620974
-6.705371
other
Rb6Fe6P12H12O48
84
167
1,064.91
mp-1194812
8.602196
2.327599
-4.931874
other
Fe12H84C48N6O72
222
167
2,567.89
mp-2716368
13.916721
4.186736
-7.255342
other
K18Na6Si18Ge12O72
126
167
1,555.1
mp-2716502
14.782664
3.953392
-7.22804
other
K18Na6Ti12Si18O72
126
167
1,622.35
mp-532538
11.476792
11.036271
-3.800734
other
Rb10Nd2Hf2Mo12O48
74
167
1,405.6
mp-1198719
11.706574
4.482498
-4.807744
other
K6Al10P16H84O100
216
167
2,133.18
mp-1182039
10.109059
3.186355
-3.889929
other
Li6H48Ru2Cl12O24
92
167
980.84
mp-2716393
14.035955
4.160951
-7.391284
other
K18Na6Si18Sn12O72
126
167
1,717.7
mp-1195451
-2.454475
-0.447317
-5.262948
other
Rb12U6Sb4P16S64
102
167
2,993.49
mp-758868
11.701944
4.428503
-4.825196
other
Mg6B6P6H36O48
102
167
915.81
mp-723426
11.659335
4.473433
-4.816435
other
Na6Li6P12H48O60
132
167
1,359
mp-1204089
-2.451017
-0.470096
-5.240437
other
Cs6Li6U6P12S48
78
167
2,052.86
mp-1197714
10.311501
4.224709
-4.060555
other
Rb6Te2H12Cl6O12
38
167
675.49
mp-557014
11.488705
11.05342
-3.823644
other
Rb10Er2Hf2Mo12O48
74
167
1,378.22
mp-758920
13.185794
6.274708
-5.92757
other
Ba6V4P12H12O48
82
167
977.34
mp-759010
13.849905
7.4414
-6.307205
other
Li6V6P12H12O48
84
167
994.14
mp-1200270
9.519343
2.22719
-4.454618
other
Co6H120C24S6O60
216
167
2,185.5
mp-775157
14.101678
8.492
-7.277085
other
Li12Mn2V6P12O48
80
167
826.62
mp-1199312
12.87882
5.384329
-6.058329
other
Rb6Al6P12H12O48
84
167
1,008.9
mp-2716365
14.60863
3.985795
-6.859645
other
K18Na6Hf12Si18O72
126
167
1,728.99
mp-1212219
8.55416
6.93828
-5.33742
other
Li6Zn6B6P12O66
96
169
1,241.83
mp-567467
8.292708
0.820769
-4.495094
other
Cd6H72C24Br18N6
126
169
1,703.48
mp-720486
-4.644998
-1.25161
-5.673918
other
V4Cu52Sn4As8S64
132
17
2,454.6
mp-643629
8.059213
9.746489
1.5446
other
Sr4Y2Cu6Pb4O16
32
17
475.93
mp-1200772
8.136079
9.589648
1.445486
other
Ba4Y2Cu6Pb4O16
32
17
506.71
mp-676934
13.55918
5.155424
-6.375977
other
K3Ca3Nd3P6O24
39
172
561.84
mp-1227702
12.557746
6.107204
-1.792644
other
Ca10Si3S3Cl2O24
42
174
572.1
mp-1177897
15.517549
5.913354
-2.168388
other
Li6Mn3Fe3B6O18
36
174
371.11
mp-1227627
12.995429
6.970061
-6.122226
other
Ca10V3P3O24F2
42
174
568.5
mp-1233329
14.047233
7.049693
-5.43711
other
K2Mg1Zn2P6O18
29
174
420
mp-1233440
13.599052
6.669065
-5.602633
other
Mg1Ga4P6H6O18
35
174
508.14
mp-695553
2.694014
2.192729
1.718541
other
Ba4Nd7Si12B1N27
51
174
721.74
mp-1227873
12.638113
6.230709
-1.563022
other
Ca10Si3S3O24F2
42
174
551.8
mp-695596
2.696661
2.194556
1.689716
other
Ba4Pr7Si12B1N27
51
174
728.23
mp-693655
2.697978
2.201892
1.74419
other
Ba4Sm7Si12B1N27
51
174
710.65
mp-1229056
11.629446
7.095873
-3.950117
other
As3P3Pb10Cl2O24
42
174
686.78
mp-1234872
13.610362
6.706942
-5.62427
other
Mg1Ga4P6H6O18
35
174
487.13
mp-1077866
13.408476
4.926976
-1.928712
other
Ba1Zn1B1O3F1
7
174
99.35
mp-651786
12.267297
6.572705
-0.794545
other
Ca5Mn1Si9Pb9O33
57
174
889.41
mp-760108
14.923045
7.978608
-5.383473
other
Li14Fe14P12O48F6
94
173
1,027.51
mp-866665
7.346021
0.230614
-4.14553
other
Li2Mg2B6H36N4
50
173
402.72
mp-1197323
12.485493
7.292738
0.49772
other
Ca2Zr2Al18B2O36
60
173
573.86
mp-601241
9.467168
3.476518
-5.567405
other
Na6Y2H24C6O30
68
173
692.47
mp-758947
14.311888
7.54488
-6.900264
other
Li14Mn14P12O48F6
94
173
1,043.72
mp-24599
10.477571
5.12787
-4.288592
other
H16W6Se2N4O24
52
173
588.83
mp-758877
14.330238
7.66824
-7.097117
other
Li14Mn14P12O48F6
94
173
1,065.97
mp-1195276
8.122144
0.563718
-4.366128
other
Li2B2H68C24N8
104
173
1,096.58
mp-1208696
13.487837
5.317116
-6.311282
other
Sr2Ca8P6O24F2
42
173
553.97
mp-1198243
11.841085
4.542845
-4.995594
other
Mg4Be6P6H26O38
80
173
716.36
mp-1201802
-3.152367
-1.441724
-5.489536
other
Ba8Na2Ge6S20Cl2
38
173
1,061.72
mp-1195591
8.105725
0.584024
-4.406932
other
Li2Al2H68C24N8
104
173
1,146.1
mp-1210401
7.94427
7.878486
-4.011536
other
Na4Te2P2H6O22
36
173
476.57
mp-1223775
10.055249
3.79938
-5.326684
other
La2H12S6N6O18
44
173
513.72
mp-1195859
8.102691
0.575913
-4.361462
other
Na2B2H68C24N8
104
173
1,057.59
mp-761175
9.471612
3.998683
-5.427203
other
Na2Ni8H18C6O30
64
173
575.98
mp-42307
12.193162
7.422756
0.311233
other
Ba4Ce6Si6O24F2
42
173
637.58
mp-1194724
8.816483
2.524413
-5.047007
other
Mn6H42C18N6O36
108
173
1,241.72
mp-632684
10.800825
3.295695
-4.699219
other
Na2P2H6N2O6
18
173
179.29
mp-540861
12.442225
6.604727
-1.8783
other
K2Na6Al8Si8O32
56
173
823.77
mp-1221052
14.681981
7.77297
-5.337569
other
Na14Fe14P12O48F6
94
173
1,115.42
mp-559901
12.963266
6.248872
-0.417247
other
K2Na6Al8Si8O32
56
173
758.93
mp-1195426
6.889131
6.636726
-4.191098
other
Ca6Mn2C2S2O50
62
173
972.81
mp-1203197
8.901959
2.565656
-5.014998
other
Fe6H42C18N6O36
108
173
1,203.66
mp-647350
11.375154
11.024115
-3.89898
other
Rb10Hf2Fe2Mo12O48
74
173
1,387.04
mp-1197765
8.719414
2.511489
-5.006293
other
Mg6H42C18N6O36
108
173
1,173.8
mp-532650
13.18455
5.516091
-2.754775
other
Ca8Mn6B6C2O30
52
173
597.38
mp-1196294
8.429427
1.145933
-4.473495
other
P2H30C6S2N12
52
173
640
mp-759300
14.849168
8.750967
-3.851992
other
Li14V14P12O48F6
94
173
1,042.07
mp-759413
11.015759
3.446663
-4.788811
other
Zn8P8H32N8O32
88
173
887.23
mp-39866
12.057445
6.95752
0.476627
other
Ba2Sm8Si6Se2O24
42
173
609.41
mp-1195522
8.786842
2.550712
-4.980769
other
Co6H42C18N6O36
108
173
1,168.5
mp-1204510
8.782105
2.567392
-5.003811
other
Zn6H42C18N6O36
108
173
1,177.64
mp-695708
13.021334
5.022966
-1.452954
other
Ba14Si2B6N2O26
50
173
832.56
mp-1173435
8.198655
0.697499
-4.396916
other
Si2H54C20N6F4
86
173
966.38
mp-1211928
10.351043
4.812417
-6.404258
other
K2Sn8S6Cl2O24
42
173
752.42
mp-14536
13.158937
5.397026
-6.419129
other
K8Na16Zn24P24O96
168
173
2,305.33
mp-563000
5.570752
3.383021
-4.594677
other
Co6Sn2C24Br2O24
58
173
1,172.88
mp-720338
13.306968
4.847799
-1.47991
other
Sr14Si2B6N2O26
50
173
709.82